8-[3-(3-iodophenyl)phenyl]quinoline

C21H14IN — CID 134445646

IUPAC8-[3-(3-iodophenyl)phenyl]quinoline
SMILESIc1cccc(-c2cccc(-c3cccc4cccnc34)c2)c1
InChIInChI=1S/C21H14IN/c22-19-10-2-7-17(14-19)16-6-1-8-18(13-16)20-11-3-5-15-9-4-12-23-21(15)20/h1-14H
InChIKeyPSCSISGDJOOMEF-UHFFFAOYSA-N
MW407.25 g/mol
LogP6.17
Rot. Bonds2

About 8-[3-(3-iodophenyl)phenyl]quinoline

8-[3-(3-iodophenyl)phenyl]quinoline (PubChem CID 134445646) has the molecular formula C21H14IN and a molecular weight of 407.25 g/mol. Its IUPAC name is 8-[3-(3-iodophenyl)phenyl]quinoline.

Molecular Properties

Compound Name8-[3-(3-iodophenyl)phenyl]quinoline
PubChem CID134445646
Molecular FormulaC21H14IN
Molecular Weight407.25 g/mol
Exact Mass407.02
IUPAC Name8-[3-(3-iodophenyl)phenyl]quinoline
SMILESIc1cccc(-c2cccc(-c3cccc4cccnc34)c2)c1
InChIInChI=1S/C21H14IN/c22-19-10-2-7-17(14-19)16-6-1-8-18(13-16)20-11-3-5-15-9-4-12-23-21(15)20/h1-14H
InChIKeyPSCSISGDJOOMEF-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.25
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
mercury;8-phenylquinoline;hydrate
CID 174770535
3-quinolin-8-ylbenzonitrile
CID 4189045
[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone
CID 10646520
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
2-(3-benzo[g]quinolin-2-yl-5-quinolin-8-ylphenyl)benzo[g]quinoline
CID 139364035

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-iodophenyl)phenyl]quinoline?
The IUPAC name of 8-[3-(3-iodophenyl)phenyl]quinoline (CID 134445646) is 8-[3-(3-iodophenyl)phenyl]quinoline.
What is the SMILES notation for 8-[3-(3-iodophenyl)phenyl]quinoline?
The canonical SMILES for 8-[3-(3-iodophenyl)phenyl]quinoline is Ic1cccc(-c2cccc(-c3cccc4cccnc34)c2)c1.
What is the InChIKey of 8-[3-(3-iodophenyl)phenyl]quinoline?
The InChIKey is PSCSISGDJOOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14IN/c22-19-10-2-7-17(14-19)16-6-1-8-18(13-16)20-11-3-5-15-9-4-12-23-21(15)20/h1-14H.
What are the key properties of 8-[3-(3-iodophenyl)phenyl]quinoline?
8-[3-(3-iodophenyl)phenyl]quinoline has a molecular weight of 407.25 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-iodophenyl)phenyl]quinoline is sourced from PubChem (CID 134445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).